L-654,284
SMILES | CCOC1=CC=C(C=C1)CC(C(=O)NC(CC2=CC=CC=C2)C(=O)NC(C(C)C)C(=O)NC(CC(=O)N)C(=O)NC(C=S)C(=O)NC(CCCCN)C(=O)N)NC(=O)CC3(CCCCC3)S |
InChIKey | VNEOOMJYPUDQOL-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 12 |
Hydrogen bond donors | 10 |
Rotatable bonds | 28 |
Molecular weight (Da) | 953.5 |
Drug properties
Molecular type | Small molecule |
Endogenous/Surrogate | Surrogate |
Approved drug | No |
Database connections
Bioactivities
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
α2A | ADA2A | Human | Adrenoceptors | A | pKi | 9.44 | 9.44 | 9.44 | PDSP Ki database |
α2C | ADA2C | Human | Adrenoceptors | A | pKi | 9.85 | 9.85 | 9.85 | PDSP Ki database |
α2B | ADA2B | Rat | Adrenoceptors | A | pKi | 9.32 | 9.32 | 9.32 | PDSP Ki database |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |